Geometry & MOs

Info

ID:

123510

PubChem CID:

50851879

Reduced:

N2O5C21H24 (1)

Stoich.:

A2B5C21D24 (1)

Weight, g/mol:

748.258311

ΔHf, kcal/mol:

-159.11

Dipole, Da:

5.1

IP(EA), eV:

 -8.53(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-chloro-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carbonyl)phenyl]-1-[[3-[4-chloro-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carbonyl)phenyl]-5-oxoimidazolidin-1-yl]methyl]imidazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2[C@@H](COC2=O)C(=O)NCCC3=CC=CC=C3)OC

DOS

IR

Vibrations